CID 118710

34643-52-2

Structural Information

Molecular Formula
C11H14Cl3O2PS2
SMILES
CCCSP(=S)(OCC)OC1=C(C=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C11H14Cl3O2PS2/c1-3-5-19-17(18,15-4-2)16-11-9(13)6-8(12)7-10(11)14/h6-7H,3-5H2,1-2H3
InChIKey
LBZJYCSHGBQGFT-UHFFFAOYSA-N
Compound name
ethoxy-propylsulfanyl-sulfanylidene-(2,4,6-trichlorophenoxy)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.92383 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.93111 165.9
[M+Na]+ 400.91305 175.0
[M-H]- 376.91655 168.4
[M+NH4]+ 395.95765 181.5
[M+K]+ 416.88699 168.1
[M+H-H2O]+ 360.92109 161.0
[M+HCOO]- 422.92203 169.4
[M+CH3COO]- 436.93768 212.1
[M+Na-2H]- 398.89850 162.6
[M]+ 377.92328 175.0
[M]- 377.92438 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.